4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine

C16H31NO — CID 55077519

IUPAC4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCC1CC=CCC1C
InChIInChI=1S/C16H31NO/c1-4-11-17-12-7-9-15(3)18-13-16-10-6-5-8-14(16)2/h5-6,14-17H,4,7-13H2,1-3H3
InChIKeyYRHNDSBULORWOZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.77
Rot. Bonds9

About 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine

4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine (PubChem CID 55077519) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine
PubChem CID55077519
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCC1CC=CCC1C
InChIInChI=1S/C16H31NO/c1-4-11-17-12-7-9-15(3)18-13-16-10-6-5-8-14(16)2/h5-6,14-17H,4,7-13H2,1-3H3
InChIKeyYRHNDSBULORWOZ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine?
The IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine (CID 55077519) is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine.
What is the SMILES notation for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine?
The canonical SMILES for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine is CCCNCCCC(C)OCC1CC=CCC1C.
What is the InChIKey of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine?
The InChIKey is YRHNDSBULORWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-11-17-12-7-9-15(3)18-13-16-10-6-5-8-14(16)2/h5-6,14-17H,4,7-13H2,1-3H3.
What are the key properties of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine?
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpentan-1-amine is sourced from PubChem (CID 55077519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).